SCHEMBL8622574

SCHEMBL8622574

CCc1ccc2c(c1N=C1NCCN1)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GNG2 P59768 1/20 0.31
GNB1 P62873 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
CES1 P23141 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8624124 0.81 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8627274 0.76 HTR2C (0.32) HTR2CHTR2B
SCHEMBL5154555 0.74 GABRA1 (0.46) HTR2CALDH1A1LMNA
SCHEMBL11610052 0.72 GABRA1 (0.41) HTR2CMAPTMEN1ALDH1A1LMNA
SCHEMBL8622872 0.71
Hydrochloric Acid SCHEMBL10814689 0.69
SCHEMBL8619961 0.69
SCHEMBL9070422 0.67 NOS3 (0.40) HTR2CHTR2BKDM4EMAPTGNG2
SCHEMBL13861836 0.67 HTR2C (0.37) HTR2CHTR2BGNG2GNB1MEN1
Tramazoline SCHEMBL8623881 0.67 BCL2L1 (0.47) KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708015-A SENSITIVE ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN (US) 1998-01-13 US disclosed
US-5580892-A ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS ALLERGAN 1996-12-03 US disclosed
EP-0724439-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS Allergan (US) 1996-08-07 EP disclosed
WO-1995011021-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN (US) 1995-04-27 WO disclosed
US-5252595-A Method for reducing or maintaining intraocular pressure in the mammalian eye by administering pharmaceutical compositions containing 2-(2-alkylphenylamino)-oxazolines, 2-(2-alkylphenylamino)-thiazolines and 2-(2-alkylphenylamino)-imidazolines ALLERGAN, INC. (US) 1993-10-12 US disclosed